9-methoxy-3,4-dimethyl-1,2,4,5-tetrahydro-[1]benzofuro[2,3-d]azepine

C15H19NO2 — CID 164872528

IUPAC9-methoxy-3,4-dimethyl-1,2,4,5-tetrahydro-[1]benzofuro[2,3-d]azepine
SMILESCOc1ccc2oc3c(c2c1)CCN(C)C(C)C3
InChIInChI=1S/C15H19NO2/c1-10-8-15-12(6-7-16(10)2)13-9-11(17-3)4-5-14(13)18-15/h4-5,9-10H,6-8H2,1-3H3
InChIKeyRJIWMFYKDQUUBA-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.86
Rot. Bonds1

About 9-methoxy-3,4-dimethyl-1,2,4,5-tetrahydro-[1]benzofuro[2,3-d]azepine

9-methoxy-3,4-dimethyl-1,2,4,5-tetrahydro-[1]benzofuro[2,3-d]azepine (PubChem CID 164872528) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 9-methoxy-3,4-dimethyl-1,2,4,5-tetrahydro-[1]benzofuro[2,3-d]azepine.

Molecular Properties

Compound Name9-methoxy-3,4-dimethyl-1,2,4,5-tetrahydro-[1]benzofuro[2,3-d]azepine
PubChem CID164872528
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name9-methoxy-3,4-dimethyl-1,2,4,5-tetrahydro-[1]benzofuro[2,3-d]azepine
SMILESCOc1ccc2oc3c(c2c1)CCN(C)C(C)C3
InChIInChI=1S/C15H19NO2/c1-10-8-15-12(6-7-16(10)2)13-9-11(17-3)4-5-14(13)18-15/h4-5,9-10H,6-8H2,1-3H3
InChIKeyRJIWMFYKDQUUBA-UHFFFAOYSA-N
XLogP2.86
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-methoxy-2-methyl-1,3,4,5-tetrahydro-[1]benzofuro[2,3-c]azepine
CID 164872530
(2R)-9-methoxy-2,3-dimethyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole
CID 168957107
8-methoxy-2-methyl-3,4,5,6-tetrahydro-[1]benzofuro[2,3-c]azocin-1-one
CID 67965470
7-methoxy-13,18-dimethyl-17-phenyl-11-oxa-1-azatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5(10),6,8-tetraene
CID 170229443
[(1R,15R)-7-methoxy-3-oxa-13-azapentacyclo[13.2.1.02,10.04,9.013,17]octadeca-2(10),4(9),5,7-tetraen-14-yl]methanol
CID 176797433
N-(2,6-dimethylpiperidin-1-yl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 3506352
N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 2469436
4-methoxy-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzamide
CID 24899449
4-methoxy-N-[(8S)-8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]benzenesulfonamide
CID 992568
1-[4-(2-methoxyethyl)piperazin-1-yl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)ethanone
CID 86913342
(5-methoxy-3-methyl-1-benzofuran-2-yl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 8502431
9-methoxy-12-methyl-1,2,3,6,7,12b-hexahydroindolo[2,3-a]quinolizin-4-one
CID 54248869

Frequently Asked Questions

What is the IUPAC name of 9-methoxy-3,4-dimethyl-1,2,4,5-tetrahydro-[1]benzofuro[2,3-d]azepine?
The IUPAC name of 9-methoxy-3,4-dimethyl-1,2,4,5-tetrahydro-[1]benzofuro[2,3-d]azepine (CID 164872528) is 9-methoxy-3,4-dimethyl-1,2,4,5-tetrahydro-[1]benzofuro[2,3-d]azepine.
What is the SMILES notation for 9-methoxy-3,4-dimethyl-1,2,4,5-tetrahydro-[1]benzofuro[2,3-d]azepine?
The canonical SMILES for 9-methoxy-3,4-dimethyl-1,2,4,5-tetrahydro-[1]benzofuro[2,3-d]azepine is COc1ccc2oc3c(c2c1)CCN(C)C(C)C3.
What is the InChIKey of 9-methoxy-3,4-dimethyl-1,2,4,5-tetrahydro-[1]benzofuro[2,3-d]azepine?
The InChIKey is RJIWMFYKDQUUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-10-8-15-12(6-7-16(10)2)13-9-11(17-3)4-5-14(13)18-15/h4-5,9-10H,6-8H2,1-3H3.
What are the key properties of 9-methoxy-3,4-dimethyl-1,2,4,5-tetrahydro-[1]benzofuro[2,3-d]azepine?
9-methoxy-3,4-dimethyl-1,2,4,5-tetrahydro-[1]benzofuro[2,3-d]azepine has a molecular weight of 245.32 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-3,4-dimethyl-1,2,4,5-tetrahydro-[1]benzofuro[2,3-d]azepine is sourced from PubChem (CID 164872528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).